SCHEMBL1315418

SCHEMBL1315418

CC(C)[C@@H]1N[C@H](c2ccccc2)COC1=O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 3/20 0.51
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.36
CYP19A1 P11511 4/20 0.35
BRD4 O60885 1/20 0.33
TSHR P16473 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2534767 0.79 SMN1; SMN2 (0.45) MEN1KMT2ASMN1; SMN2LMNACYP19A1
SCHEMBL11951038 0.79 SMN1; SMN2 (0.45) MEN1KMT2ASMN1; SMN2LMNACYP19A1
SCHEMBL14601299 0.79 SMN1; SMN2 (0.45) MEN1KMT2ASMN1; SMN2LMNACYP19A1
SCHEMBL1315523 0.79 SMN1; SMN2 (0.45) MEN1KMT2ASMN1; SMN2LMNACYP19A1
SCHEMBL1315164 0.79 SMN1; SMN2 (0.45) MEN1KMT2ASMN1; SMN2LMNACYP19A1
SCHEMBL27258402 0.76 CACNA1G (0.44) CACNA1GMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL1318530 0.75 MEN1 (0.39) CACNA1GMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL1317448 0.72 CACNA1G (0.56) CACNA1GMAPT
SCHEMBL13446662 0.72 CACNA1G (0.56) CACNA1GMAPT
SCHEMBL22854374 0.72 CACNA1G (0.40) CACNA1GMEN1KMT2ASMN1; SMN2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2161277-B1 Asymmetric synthesis of peptides UNIV READING (GB) 2013-04-10 EP disclosed
EP-2161277-B1 Asymmetric synthesis of peptides UNIV READING (GB) 2013-04-10 EP disclosed
US-8399612-B2 Asymmetric synthesis of peptides UNIVERSITY OF READING (GB) 2013-03-19 US disclosed
US-20120190816-A9 ASYMMETRIC SYNTHESIS OF PEPTIDES UNIVERSITY OF READING 2012-07-26 US disclosed
US-20110275784-A1 ASYMMETRIC SYNTHESIS OF PEPTIDES UNIVERSITY OF READING 2011-11-10 US disclosed
US-8044173-B2 Asymmetric synthesis of peptides UNIVERSITY OF READING (GB) 2011-10-25 US disclosed
US-8044173-B2 Asymmetric synthesis of peptides UNIVERSITY OF READING (GB) 2011-10-25 US disclosed
US-8044173-B2 Asymmetric synthesis of peptides UNIVERSITY OF READING (GB) 2011-10-25 US disclosed
EP-2161277-A2 Asymmetric synthesis of peptides University of Reading (GB) 2010-03-10 EP disclosed
EP-2161277-A2 Asymmetric synthesis of peptides University of Reading (GB) 2010-03-10 EP disclosed
US-20080281075-A1 ASYMMETRIC SYNTHESIS OF PEPTIDES UNIVERSITY OF READING (GB) 2008-11-13 US disclosed
US-20080281075-A1 ASYMMETRIC SYNTHESIS OF PEPTIDES UNIVERSITY OF READING (GB) 2008-11-13 US disclosed
US-20080281075-A1 ASYMMETRIC SYNTHESIS OF PEPTIDES UNIVERSITY OF READING (GB) 2008-11-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110275784-A1 ASYMMETRIC SYNTHESIS OF PEPTIDES PTMS, NGLY1, QPCT CACNA1G 4859/4885MEN1 1231/4885KMT2A 2379/4885
US-20080281075-A1 ASYMMETRIC SYNTHESIS OF PEPTIDES PTMS, NGLY1, QPCT CACNA1G 4859/4885MEN1 1231/4885KMT2A 2379/4885
US-20120190816-A9 ASYMMETRIC SYNTHESIS OF PEPTIDES PTMS, NGLY1, QPCT CACNA1G 4859/4885MEN1 1231/4885KMT2A 2379/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.